Vitas-M small molecule compound

6-tert-butyl-N-(2,4-dimethylpentan-3-yl)-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Catalog ID
STL385368
SMILES CC(C(C(C)C)NC(=O)C1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccccc1)C(C)(C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H36N2O4S MW 472.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O4S/c1-17(2)24(18(3)4)27-25(29)23-16-28(33(30,31)20-11-9-8-10-12-20)21-15-19(26(5,6)7)13-14-22(21)32-23/h8-15,17-18,23-24H,16H2,1-7H3,(H,27,29)
InChIKey
CFIRKWBAJANTPD-UHFFFAOYSA-N
Synonyms

4(benzenesulfonyl)6tertbutylN(24dimethylpentan3yl)23dihydro14benzoxazine2carboxamide
6tertbutylN(24dimethylpentan3yl)4(phenylsulfonyl)34dihydro2H14benzoxazine2carboxamide
CC(C)C(C(C)C)NC(=O)C1CN(C2=C(O1)C=CC(=C2)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3
InChI=1SC26H36N2O4Sc117(2)24(18(3)4)2725(29)231628(33(3031)201198101220)211519(26(56)7)131422(21)3223h81517182324H16H217H3(H2729)
MFCD27217395
ZINC000064985556
ZINC000064985558

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Available files

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